1-[2-[[(1R)-1-cyclopropylethyl]-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1R)-1-cyclopropylethyl]-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1R)-1-cyclopropylethyl]-(phenylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O2/c1-15(17-7-8-17)23(13-16-5-3-2-4-6-16)19(24)14-22-11-9-18(10-12-22)20(21)25/h2-6,15,17-18H,7-14H2,1H3,(H2,21,25)/p+1/t15-/m1/s1